N-heptadecan-9-yl-2-methylbenzamide

C25H43NO — CID 3929540

IUPACN-heptadecan-9-yl-2-methylbenzamide
SMILESCCCCCCCCC(CCCCCCCC)NC(=O)c1ccccc1C
InChIInChI=1S/C25H43NO/c1-4-6-8-10-12-14-19-23(20-15-13-11-9-7-5-2)26-25(27)24-21-17-16-18-22(24)3/h16-18,21,23H,4-15,19-20H2,1-3H3,(H,26,27)
InChIKeyJLXLGRGRNOWFED-UHFFFAOYSA-N
MW373.62 g/mol
LogP7.59
Rot. Bonds16

About N-heptadecan-9-yl-2-methylbenzamide

N-heptadecan-9-yl-2-methylbenzamide (PubChem CID 3929540) has the molecular formula C25H43NO and a molecular weight of 373.62 g/mol. Its IUPAC name is N-heptadecan-9-yl-2-methylbenzamide.

Molecular Properties

Compound NameN-heptadecan-9-yl-2-methylbenzamide
PubChem CID3929540
Molecular FormulaC25H43NO
Molecular Weight373.62 g/mol
Exact Mass373.33
IUPAC NameN-heptadecan-9-yl-2-methylbenzamide
SMILESCCCCCCCCC(CCCCCCCC)NC(=O)c1ccccc1C
InChIInChI=1S/C25H43NO/c1-4-6-8-10-12-14-19-23(20-15-13-11-9-7-5-2)26-25(27)24-21-17-16-18-22(24)3/h16-18,21,23H,4-15,19-20H2,1-3H3,(H,26,27)
InChIKeyJLXLGRGRNOWFED-UHFFFAOYSA-N
XLogP7.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.62
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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N-[1-(1-aminohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
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2-decyl-1-(2-methylphenyl)butane-1,3-dione
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tetradecan-5-yl 2-methylbenzoate
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2-amino-N-(1-aminohexan-2-yl)benzamide
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N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methylbenzamide
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[(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate
CID 99923145
1-(2-methylphenyl)undecan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-heptadecan-9-yl-2-methylbenzamide?
The IUPAC name of N-heptadecan-9-yl-2-methylbenzamide (CID 3929540) is N-heptadecan-9-yl-2-methylbenzamide.
What is the SMILES notation for N-heptadecan-9-yl-2-methylbenzamide?
The canonical SMILES for N-heptadecan-9-yl-2-methylbenzamide is CCCCCCCCC(CCCCCCCC)NC(=O)c1ccccc1C.
What is the InChIKey of N-heptadecan-9-yl-2-methylbenzamide?
The InChIKey is JLXLGRGRNOWFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO/c1-4-6-8-10-12-14-19-23(20-15-13-11-9-7-5-2)26-25(27)24-21-17-16-18-22(24)3/h16-18,21,23H,4-15,19-20H2,1-3H3,(H,26,27).
What are the key properties of N-heptadecan-9-yl-2-methylbenzamide?
N-heptadecan-9-yl-2-methylbenzamide has a molecular weight of 373.62 g/mol, XLogP of 7.59, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptadecan-9-yl-2-methylbenzamide is sourced from PubChem (CID 3929540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).